Download or read book Molecular Dynamics Simulations of Liquid Crystals at Interfaces written by Mark Shield and published by . This book was released on 2002 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book The Molecular Dynamics of Liquid Crystals written by G.R. Luckhurst and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: Liquid-crystalline phases are now known to be formed by an ever growing range of quite diverse materials, these include those of low molecular weight as well as the novel liquid-crystalline polymers, such phases can also be induced by the addition of a solvent to amphiphilic systems leading to lyotropic liquid crystals. Irrespective of the structure of the constituent molecules these numerous liquid-cl)'Stailine phases are characterised by their long range orientational order. In addition certain phases exhibit elements of long range positional order. Our understanding, both experimental and theoretical, at the molecular level of the static behaviour of these fascinating and important materials is now well advanced. In contrast the influence of the long range order; both orientational and positional, on the molecular dynamics in liquid Cl)'Stais is less well understood. In an attempt to address this situation a NATO Advanced Study Institute devoted to liquid ctystal dynamics was held at n Ciocco, Barga, Italy in September 1989. This brought together experimentalists and theoreticians concerned with the various dynamical processes occurring in all liquid crystals. The skills of the participants was impressively wide ranging; they spanned the experimental techniques used in the study of molecular dynamics, the nature of the systems investigated and the theoretical models employed to understand the results. While much was learnt it was also recognised that much more needed to be done in order to advance our understanding of molecular dynamics in liquid Cl)'Stais.

Download or read book Advances in the Computer Simulatons of Liquid Crystals written by Paolo Pasini and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 435 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer simulations provide an essential set of tools for understanding the macroscopic properties of liquid crystals and of their phase transitions in terms of molecular models. While simulations of liquid crystals are based on the same general Monte Carlo and molecular dynamics techniques as are used for other fluids, they present a number of specific problems and peculiarities connected to the intrinsic properties of these mesophases. The field of computer simulations of anisotropic fluids is interdisciplinary and is evolving very rapidly. The present volume covers a variety of techniques and model systems, from lattices to hard particle and Gay-Berne to atomistic, for thermotropics, lyotropics, and some biologically interesting liquid crystals. Contributions are written by an excellent panel of international lecturers and provides a timely account of the techniques and problems in the field.

Download or read book Computer Simulations of Liquid Crystals and Polymers written by Paolo Pasini and published by Springer Science & Business Media. This book was released on 2005 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Surfaces and Interfaces of Liquid Crystals written by Theo Rasing and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the state of the art of our understanding of liquid-crystal interfaces on a molecular level. The interactions of liquid crystal molecules with a surface play an essential role in the operation of liquid crystal displays (LCD's) and other LC devices that are based on the controllable anchoring of LC molecules on polymer coated surfaces. This book addresses the microscopic interaction between a macromolecule (liquid crystal, polymer) and a wall, using state of the art surface and interface-sensitive experimental techniques, such as Atomic Force Microscopy (AFM), Scanning Tunneling Microscopy (STM), Linear and Nonlinear Optical Microscopy and (Dynamic) Light Scattering (DLS). These experimental techniques were complemented with computer simulations and supra molecular chemistry methods to develop controllable polymeric surfaces.

Download or read book Liquid Crystals and Their Computer Simulations written by Claudio Zannoni and published by Cambridge University Press. This book was released on 2022-07-31 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Standing as the first unified textbook on the subject, Liquid Crystals and Their Computer Simulations provides a comprehensive and up-to-date treatment of liquid crystals and of their Monte Carlo and molecular dynamics computer simulations. Liquid crystals have a complex physical nature, and, therefore, computer simulations are a key element of research in this field. This modern text develops a uniform formalism for addressing various spectroscopic techniques and other experimental methods for studying phase transitions of liquid crystals, and emphasises the links between their molecular organisation and observable static and dynamic properties. Aided by the inclusion of a set of Appendices containing detailed mathematical background and derivations, this book is accessible to a broad and multidisciplinary audience. Primarily intended for graduate students and academic researchers, it is also an invaluable reference for industrial researchers working on the development of liquid crystal display technology.

Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: • Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD • Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers • Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.

Download or read book Surfaces and Interfaces of Liquid Crystals written by Theo Rasing and published by . This book was released on 2014-01-15 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Computer Simulation of Liquids written by Michael P. Allen and published by Oxford University Press. This book was released on 2017-08-15 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.

Download or read book Ionic Liquid Crystals written by Giacomo Saielli and published by MDPI. This book was released on 2019-06-24 with total page 108 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this book we have collected a series of state-of-the art papers written by specialists in the field of ionic liquid crystals (ILCs) to address key questions concerning the synthesis, properties, and applications of ILCs. New compounds exhibiting ionic liquid crystalline phases are presented, both of calamitic as well as discotic type. Their dynamic and structural properties have been investigated with a series of experimental techniques including differential scanning calorimetry, polarized optical spectroscopy, X-ray scattering, and nuclear magnetic resonance, impedance spectroscopy to mention but a few. Moreover, computer simulations using both fully atomistic and highly coarse-grained force fields have been presented, offering an invaluable microscopic view of the structure and dynamics of these fascinating materials.

Download or read book Liquid Crystals and Their Interactions with Colloidal Particles and Phospholipid Membranes written by Evelina B. Kim and published by . This book was released on 2004 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Liquid Crystals I written by D.M.P. Mingos and published by Springer. This book was released on 2003-09-04 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt: The liquid crystalline state may be identified as a distinct and unique state of matter which is characterised by properties which resemble those of both solids and liquids. It was first recognised in the middle of the last century through the study of nerve myelin and derivatives of cholesterol. The research in the area really gathered momentum, however, when as a result of the pioneering work of Gray in the early 1970's organic compounds exhibiting liquid crystalline properties were shown to be suitable to form the basis of display devices in the electronic products. The study of liquid crystals is truly multidisciplinary and has attached the attention of physicists, biologists, chemists, mathematicians and electronics engineers. It is therefore impossible to cover all these aspects fully in two small volumes and therefore it was decided in view of the overall title of the series to concentrate on the structural and bonding aspects of the subject. The Chapters presented in these two volumes have been organised to cover the following fundamental aspects of the subiect. The calculation of the structures of liquid crystals, an account of their dynamical properties and a discussion of computer simulations of liquid crystalline phases formed by Gay Berne mesogens. The relationships between molecular conformation and packing are analysed in some detail. The crystal structures of liquid crystal mesogens and the importance of their X ray scattering properties for characterisational purposes are discussed.

Download or read book Liquid Crystals and their Computer Simulations written by Claudio Zannoni and published by Cambridge University Press. This book was released on 2022-07-28 with total page 703 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive introduction to liquid crystals and their computer simulations suitable for students, researchers and industrial scientists.

Download or read book Nuclear Magnetic Resonance Spectroscopy of Liquid Crystals written by Ronald Y. Dong and published by World Scientific. This book was released on 2010 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited volume provides an extensive overview of how nuclear magnetic resonance can be an indispensable tool to investigate molecular ordering, phase structure, and dynamics in complex anisotropic phases formed by liquid crystalline materials. The chapters, written by prominent scientists in their field of expertise, provide a state-of-the-art scene of developments in liquid crystal research. The fantastic assortment of shape anisotropy in organic molecules leads to The discoveries of interesting new soft materials made at a rapid rate which not only inject impetus to address the fundamental physical and chemical phenomena, but also the potential applications in memory, sensor and display devices. The review volume also covers topics ranging from solute studies of molecules in nematics and biologically ordered fluids to theoretical approaches in treating elastic and viscous properties of liquid crystals. This volume is aimed at graduate students, novices and experts alike, and provides an excellent reference material for readers interested in the liquid crystal research. it is, indeed, a reference book for every science library to have.

Download or read book Computer Simulation of Cyclic Siloxane Based Liquid Crystals Molecular Dynamics and X Ray Scattering written by and published by . This book was released on 1992 with total page 59 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular dynamics technique is employed in the present study to investigate molecular models of a liquid crystal (LC) based on cyclic penta(methylsiloxane) with combinations of cholesteryl4'-allyloxybenzoate and biphenyl-4'allyloxybenzoate mesogens, which is of technological importance because of attributes related to light processing media. The packing and structure exhibited by these commercially available cholesteric LC's show unusually well-defined interlayer order giving rise to high order X-ray reflections. The purpose of this investigation was to: (1) Investigate the conformational flexibility of the molecular arrangements and organization of this cyclic siloxane-based LC at room temperature, providing insight into the relative stability of the various models proposed. (2) Serve as an instructional reference describing the basic theory and use of molecular mechanics and dynamics for the study of large molecular systems. Results from the molecular dynamics calculations indicate the degree of conformational flexibility among the pendant mesogens of this molecular system, and its effects on interdigitation. In particular, the isolated disk model exhibits the most flexibility and greatest stability as indicated by mean dihedral angles and range for certain key torsions. The dynamics simulation of the cylinder pairs suggests a large conformational flexibility of the siloxane rings. Also, movements of the interdigitated mesogens were much higher for a fixed rings system than for the case where the ring atoms were free to move. X-ray scattering pattern calculations for the structures generated during the dynamics run demonstrate higher order than for the initial models.

Download or read book Computational Simulation of Dynamics of Nematic Liquid Crystals in the Presence of Nanoparticles and Biological Macromolecules written by Huangli Wu and published by . This book was released on 2006 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent research shows that liquid crystals can be used to report the presence of different types of substances through optical amplication of ligand-receptor binding. In this work, simulations based on a coarse-grained method have been performed to study a class of liquid-crystal-based sensors. A tensor order parameter was used to model the liquid crystalline system and the Beris-Edwards formulation was employed to obtain the time evolution of a liquid crystal medium containing particles. The simulation cases are built using three-dimensional unstructured meshes and the simulation geometries studied include simple models involving spheres as well as detailed modeling for a protein. The dynamics of a liquid crystal medium confined between two solid walls has been studied in the presence of spherical particles and a representative biological acromolecule. Comparisons of steady state and transient solutions from the present study with corresponding results from molecular dynamics based simulations in the literature yield good agreements.

Download or read book Molecular Simulation of a Model Liquid Crystal written by Manoj K. Chalam and published by . This book was released on 1991 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: